4-tert-butyl-N-[(2R)-1-[4-(phenylmethyl)piperazin-1-ium-1-yl]propan-2-yl]-N-pyridin-2-yl-benzamide

Systemtic Name: 4-tert-butyl-N-[(2R)-1-[4-(phenylmethyl)piperazin-1-ium-1-yl]propan-2-yl]-N-pyridin-2-yl-benzamide Openeye Name: N-[(1R)-2-(4-benzylpiperazin-1-ium-1-yl)-1-methyl-ethyl]-4-tert-butyl-N-(2-pyridyl)benzamide CAS Name: 4-tert-butyl-N-[(2R)-1-[4-(phenylmethyl)-1-piperazin-1-iumyl]propan-2-yl]-N-(2-pyridinyl)benzamide IUPAC Name: N-[(2R)-1-(4-benzylpiperazin-1-ium-1-yl)propan-2-yl]-4-tert-butyl-N-pyridin-2-ylbenzamide Traditional Name: N-[(1R)-2-(4-benzylpiperazin-1-ium-1-yl)-1-methyl-ethyl]-4-tert-butyl-N-(2-pyridyl)benzamide Formula: C30H39N4O+ MolecularWeight: 471.65686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)CC2=CC=CC=C2)N(C3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

C[C@H](C[NH+]1CCN(CC1)CC2=CC=CC=C2)N(C3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C30H38N4O/c1-24(22-32-18-20-33(21-19-32)23-25-10-6-5-7-11-25)34(28-12-8-9-17-31-28)29(35)26-13-15-27(16-14-26)30(2,3)4/h5-17,24H,18-23H2,1-4H3/p+1/t24-/m1/s1